(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-nitrophenyl)carbonylamino]ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-nitrobenzoyl)amino]acetate CAS Name: 2-[[(3-nitrophenyl)-oxomethyl]amino]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(3-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-nitrobenzoyl)amino]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H15ClN2O7 MolecularWeight: 406.7739

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H15ClN2O7/c19-14-4-12-8-26-10-28-17(12)13(5-14)9-27-16(22)7-20-18(23)11-2-1-3-15(6-11)21(24)25/h1-6H,7-10H2,(H,20,23)